C679-5423 Screening compound: 4-methyl-N-[4-({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

C679-5423 Screening compound: 4-methyl-N-[4-({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide
C679-5423 Screening compound: 4-methyl-N-[4-({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-5423
4-methyl-N-[4-({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C679-5423

Molecular Formula

C22H19N3O3S (C22 H19 N3 O3 S)

Compound Name

4-methyl-N-[4-({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

IUPAC name

4-methyl-N-[4-({3-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

SMILES

CC(N12)=CSC2=NC(COc(cc2)ccc2NC(c2ccc(C)cc2)=O)=CC1=O

InChI

InChI=1S/C22H19N3O3S/c1-14-3-5-16(6-4-14)21(27)23-17-7-9-19(10-8-17)28-12-18-11-20(26)25-15(2)13-29-22(25)24-18/h3-11,13H,12H2,1-2H3,(H,23,27)

InChI Key

ZZXXFQSJMKOYGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.467

Distribution Coefficient, logD

3.466

Water Solubility, LogSw

-3.71

Polar Surface Area

56.177

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C679-5423 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C679-5423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-5423?
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What is the minimum amount of C679-5423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-5423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-5423
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C679-5423 available by request